4BWA
PylRS Y306G, Y384F, I405R mutant in complex with adenylated norbornene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-12-01 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 64 |
Unit cell lengths | 104.800, 104.800, 72.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.420 - 2.450 |
R-factor | 0.18441 |
Rwork | 0.183 |
R-free | 0.21369 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bw9 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.475 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.380 | 2.640 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.060 | 0.580 |
Number of reflections | 17790 | |
<I/σ(I)> | 30.4 | 4.9 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 10.7 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M SODIUM ACETATE, 15% PEG3350 |